(2R)-N-(8-methylquinolin-5-yl)-2-propylsulfonylpropanamide

C16H20N2O3S — CID 94669801

IUPAC(2R)-N-(8-methylquinolin-5-yl)-2-propylsulfonylpropanamide
SMILESCCCS(=O)(=O)[C@H](C)C(=O)Nc1ccc(C)c2ncccc12
InChIInChI=1S/C16H20N2O3S/c1-4-10-22(20,21)12(3)16(19)18-14-8-7-11(2)15-13(14)6-5-9-17-15/h5-9,12H,4,10H2,1-3H3,(H,18,19)/t12-/m1/s1
InChIKeyWZVAUPMHWGAJAO-GFCCVEGCSA-N
MW320.41 g/mol
LogP2.70
Rot. Bonds5

About (2R)-N-(8-methylquinolin-5-yl)-2-propylsulfonylpropanamide

(2R)-N-(8-methylquinolin-5-yl)-2-propylsulfonylpropanamide (PubChem CID 94669801) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is (2R)-N-(8-methylquinolin-5-yl)-2-propylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-N-(8-methylquinolin-5-yl)-2-propylsulfonylpropanamide
PubChem CID94669801
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name(2R)-N-(8-methylquinolin-5-yl)-2-propylsulfonylpropanamide
SMILESCCCS(=O)(=O)[C@H](C)C(=O)Nc1ccc(C)c2ncccc12
InChIInChI=1S/C16H20N2O3S/c1-4-10-22(20,21)12(3)16(19)18-14-8-7-11(2)15-13(14)6-5-9-17-15/h5-9,12H,4,10H2,1-3H3,(H,18,19)/t12-/m1/s1
InChIKeyWZVAUPMHWGAJAO-GFCCVEGCSA-N
XLogP2.70
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-[(8-methylquinolin-5-yl)carbamoylamino]ethyl]propanamide
CID 47033502
1-(8-methylquinolin-5-yl)-3-[(1S)-1-phenylethyl]urea
CID 51945829
3-(ethylamino)-N-(8-methylquinolin-5-yl)butanamide
CID 62837223
N-(8-methylquinolin-5-yl)-2-propan-2-yloxyacetamide
CID 47418219
4-amino-5-[(8-methylquinolin-5-yl)amino]-5-oxopentanoic acid
CID 64895232
2-propylsulfonyl-N-pyridin-4-ylpropanamide
CID 60572366
(2R)-2-(2,3-dimethylphenoxy)-N-(8-methylquinolin-5-yl)propanamide
CID 38950691
2-(4-bromophenoxy)-N-(8-methylquinolin-5-yl)propanamide
CID 55548698
(3R)-N-methyl-3-[methyl-[(8-methylquinolin-5-yl)carbamoyl]amino]butanamide
CID 126443663
N-(8-aminoquinolin-5-yl)-2-propylpentanamide
CID 104826496
2-[(2-methylpropan-2-yl)oxy]-N-(8-methylquinolin-5-yl)acetamide
CID 115949975
2-(3,5-dimethylphenoxy)-N-(8-methylquinolin-5-yl)acetamide
CID 38277487

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(8-methylquinolin-5-yl)-2-propylsulfonylpropanamide?
The IUPAC name of (2R)-N-(8-methylquinolin-5-yl)-2-propylsulfonylpropanamide (CID 94669801) is (2R)-N-(8-methylquinolin-5-yl)-2-propylsulfonylpropanamide.
What is the SMILES notation for (2R)-N-(8-methylquinolin-5-yl)-2-propylsulfonylpropanamide?
The canonical SMILES for (2R)-N-(8-methylquinolin-5-yl)-2-propylsulfonylpropanamide is CCCS(=O)(=O)[C@H](C)C(=O)Nc1ccc(C)c2ncccc12.
What is the InChIKey of (2R)-N-(8-methylquinolin-5-yl)-2-propylsulfonylpropanamide?
The InChIKey is WZVAUPMHWGAJAO-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-4-10-22(20,21)12(3)16(19)18-14-8-7-11(2)15-13(14)6-5-9-17-15/h5-9,12H,4,10H2,1-3H3,(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-N-(8-methylquinolin-5-yl)-2-propylsulfonylpropanamide?
(2R)-N-(8-methylquinolin-5-yl)-2-propylsulfonylpropanamide has a molecular weight of 320.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(8-methylquinolin-5-yl)-2-propylsulfonylpropanamide is sourced from PubChem (CID 94669801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).